General Information of the Compound
| Compound ID |
CP0515974
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| Compound Name |
MLS001214907
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
COc1ccc2nc3n(CC(C)C)nc(NC(=O)C(C)(C)C)c3cc2c1
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| InChI |
InChI=1S/C20H26N4O2/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(3,4)5)10-13-9-14(26-6)7-8-16(13)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25)
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| InChIKey |
NVKPUIUQUNVJJH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8